Crystal structure determination and analyses of Hirshfeld surface, crystal voids, inter­molecular inter­action energies and energy frameworks of 1-benzyl-4-(methyl­sulfan­yl)-3a,7a-di­hydro-1H-pyrazolo­[3,4-d]pyrimidine

Mustaphi, N.E.H.; Chlouchi, A.; El Hafi, M.; Mague, J.T.; Hökelek, T.; El Monfalouti, H.; Haoudi, A.; Mazzah, A.

doi:10.1107/S2056989024005954

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 10
The energy frameworks for a cluster of molecules of (I)

viewed down the c axis showing (a) electrostatic energy and (b) dispersion energy diagrams. The cylindrical radius is proportional to the relative strength of the corresponding energies and they were adjusted to the same scale factor of 80 with cut-off value of 5 kJ mol⁻¹ within 2×2×2 unit cells.

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

Volume 80| Part 7| July 2024| Pages 783-788

https://doi.org/10.1107/S2056989024005954

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